CID 125449120

2060037-08-1

Structural Information

Molecular Formula
C9H15N3
SMILES
CC1(CC2=C(CNC1)C=NN2)C
InChI
InChI=1S/C9H15N3/c1-9(2)3-8-7(4-10-6-9)5-11-12-8/h5,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKey
WTRISRPFOHFYNZ-UHFFFAOYSA-N
Compound name
7,7-dimethyl-4,5,6,8-tetrahydro-1H-pyrazolo[4,5-c]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.1266 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.133876 135.5
[M+Na]+ 188.115818 142.2
[M-H]- 164.119324 134.7
[M+NH4]+ 183.160423 154.3
[M+K]+ 204.089758 141.2
[M+H-H2O]+ 148.123860 127.4
[M+HCOO]- 210.124801 150.5
[M+CH3COO]- 224.140451 146.4
[M+Na-2H]- 186.101266 141.0
[M]+ 165.12605142 127.7
[M]- 165.12714858 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.